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Information card for entry 7249686
Preview
| Coordinates | 7249686.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H28 N12 O3 |
|---|---|
| Calculated formula | C18 H28 N12 O3 |
| Title of publication | A novel bis(triazole)furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity |
| Authors of publication | wang, jiapeng; Wang, Jian-Hua; Liu, Yucun; Yuan, Junming; Yu, Yan-Wu; zhang, Yankang; Yan, Xuejian |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 10.205 ± 0.002 Å |
| b | 10.512 ± 0.002 Å |
| c | 11.184 ± 0.003 Å |
| α | 90.85 ± 0.004° |
| β | 94.688 ± 0.004° |
| γ | 96.027 ± 0.004° |
| Cell volume | 1188.8 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0917 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1679 |
| Weighted residual factors for all reflections included in the refinement | 0.1821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296833 (current) | 2024-12-11 | cif/ Adding structures of 7249684, 7249685, 7249686 via cif-deposit CGI script. |
7249686.cif |
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Users of the data should acknowledge the original authors of the
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